4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline

C15H19N3S — CID 70524977

IUPAC4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline
SMILESNc1ccc(-c2csc(CN3CCCCC3)n2)cc1
InChIInChI=1S/C15H19N3S/c16-13-6-4-12(5-7-13)14-11-19-15(17-14)10-18-8-2-1-3-9-18/h4-7,11H,1-3,8-10,16H2
InChIKeyBPKOVYZPYPJERF-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.38
Rot. Bonds3

About 4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline

4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline (PubChem CID 70524977) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline
PubChem CID70524977
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline
SMILESNc1ccc(-c2csc(CN3CCCCC3)n2)cc1
InChIInChI=1S/C15H19N3S/c16-13-6-4-12(5-7-13)14-11-19-15(17-14)10-18-8-2-1-3-9-18/h4-7,11H,1-3,8-10,16H2
InChIKeyBPKOVYZPYPJERF-UHFFFAOYSA-N
XLogP3.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84570130
4-naphthalen-2-yl-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566788
4-(1,3-benzodioxol-5-yl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566810
2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-4-phenyl-1,3-thiazole;methane
CID 158416700
4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]aniline
CID 82098070
4-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]aniline
CID 82098071
4-(1-methylbenzimidazol-5-yl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566814
4-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84570157
1-(azepan-1-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 30485899
4-(4-fluorophenyl)-2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 135092286
1-[4-[[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone
CID 60603912
4-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline
CID 61308270

Frequently Asked Questions

What is the IUPAC name of 4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of 4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline (CID 70524977) is 4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline is Nc1ccc(-c2csc(CN3CCCCC3)n2)cc1.
What is the InChIKey of 4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline?
The InChIKey is BPKOVYZPYPJERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c16-13-6-4-12(5-7-13)14-11-19-15(17-14)10-18-8-2-1-3-9-18/h4-7,11H,1-3,8-10,16H2.
What are the key properties of 4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline?
4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline has a molecular weight of 273.40 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 70524977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).